N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline

C17H26N2 — CID 11687524

IUPACN,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline
SMILESCc1cc(N(C)C)cc(C)c1/C=C/C1CCNCC1
InChIInChI=1S/C17H26N2/c1-13-11-16(19(3)4)12-14(2)17(13)6-5-15-7-9-18-10-8-15/h5-6,11-12,15,18H,7-10H2,1-4H3/b6-5+
InChIKeyGGCGRFHHGMCDRA-AATRIKPKSA-N
MW258.41 g/mol
LogP3.38
Rot. Bonds3

About N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline

N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline (PubChem CID 11687524) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline.

Molecular Properties

Compound NameN,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline
PubChem CID11687524
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline
SMILESCc1cc(N(C)C)cc(C)c1/C=C/C1CCNCC1
InChIInChI=1S/C17H26N2/c1-13-11-16(19(3)4)12-14(2)17(13)6-5-15-7-9-18-10-8-15/h5-6,11-12,15,18H,7-10H2,1-4H3/b6-5+
InChIKeyGGCGRFHHGMCDRA-AATRIKPKSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline?
The IUPAC name of N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline (CID 11687524) is N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline.
What is the SMILES notation for N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline?
The canonical SMILES for N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline is Cc1cc(N(C)C)cc(C)c1/C=C/C1CCNCC1.
What is the InChIKey of N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline?
The InChIKey is GGCGRFHHGMCDRA-AATRIKPKSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-11-16(19(3)4)12-14(2)17(13)6-5-15-7-9-18-10-8-15/h5-6,11-12,15,18H,7-10H2,1-4H3/b6-5+.
What are the key properties of N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline?
N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline has a molecular weight of 258.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline is sourced from PubChem (CID 11687524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).